N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide

C22H22N2O2 — CID 851464

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeySFGXIWSQLBGLGE-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.92
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 851464) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
PubChem CID851464
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25)
InChIKeySFGXIWSQLBGLGE-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide (CID 851464) is N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is SFGXIWSQLBGLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c25-22(20-8-7-18-3-1-2-4-19(18)15-20)23-21-9-5-17(6-10-21)16-24-11-13-26-14-12-24/h1-10,15H,11-14,16H2,(H,23,25).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 851464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).